- New features:
- Phase lines can now be shown in the Cake Widget. Intensity is shown as thickness and opacity of the lines.
- Bug Fixes:
- reading trigonal rhombic cif files works now correctly
- entering the range for the automatic background subtraction works now correctly
- the motor setup widget is now not showing anymore after starting Dioptas on OS X
- fixed double logarithm for the intensity distribution display histogram
- New features:
- Added the capability of using detector distortion correction defined by spline files generated from Fit2D (please see the calibration parameters)
- PONI and rotation parameters can now be fixed during the calibration
- redesigned parts of the GUI: (1) the top controls in the Integration view no adapt to the used width, and split into two groups to make use of the space. (2) Overlay and Phase Control Widgets now are mainly controlled by buttons and the important parameter can be changed for each item individually in the table. (3) There is now a a different view mode for the integration view, where image and integrated pattern are shown on the left, and all control panels are on the right. This can be activated by using the change view button on the lower left.
- the cBN Seat Correction and Detector Incidence Absoprtion Correction Controls have been redesigned
- Added the option to use a transfer correction for image intensities. Please see the Cor tab in the integration view
- azimuthal bins and azimuthal range for the cake integration can now be adjusted manually in the X tab
- the cake image can now be exported (press the save button below the image)
- auto-extracted Pattern background can now be saved as file or later reused as overlay
- the background subtraction algorithm is now also rewritten in cython, which should make deployment easier
- a button was added to undo the last peak selection in the calibration tab
- the jcpds editor now also shows q-values for each line
- Bug fixes:
- cosmic removal in the mask panel is now working again
- changing the radial bins in the X tab in the integration view works now correctly again
- phases with trigonal symmetry should now work correctly
- saved background range should now correctly restore after restarting Dioptas
- browsing files works now correctly from 10 to 9 without leading zeros
- loading a *.poni file prior to an image will not result in an error message anymore
New features:
- easier step selection for pressure, temperature in the phases widget and scaling and offset in the overlay widget, the steps are now selected by a spinbox which behaves more or less logarithmically (0.1, 1, 5, 10, 50, 100 etc.)
- the solid angle correction can now be switched off and on (please see the X-tab in the Integration View)
Bugfixes:
- Overlays overlays are now recovered in order when opening a previously saved project with more than 10 overlays
- cif and jcpds now als can handle trigonal symmetry (not only hexagonal)
- auto zoom for cakes works now correctly when browsing through several files
- entering numbers with a "," as a decimal separator work now correctly
- loading new files with automatic background subtraction enabled will now correctly keep the x limits constant
New Features:
- added the possibility to work with multiple detector configurations at the same time (enabled by the C button on the upper left)
- all your work (including mutliple configurations) can be saved into project files
- Dioptas can restore the previous working session on start
- there is now a Dioptas icon instead of the generic python icon
- unmasking geometric shapes are now green instead of red, to clarify which mode is selected
- added the option to use arcs for masking
- Dioptas is now completely Python 3.5/3.6 compatible
- Dioptas can now save pattern files as "FXYE" files (GSAS-II format)
- background subtracted or other modified (absorption correction etc.) Images can now be saved in batch mode
- lists of phases including their pressure and temperature values can now be saved and loaded
- the cake mode in the integration window now shows azimuth and tth/q axes
- the cake image can now be shifted in azimuth, to have a better possibility to view features which where before only at the edges
Bugfixes:
- fixed issues with changing units when having automatic background subtraction enabled
- strong zooming into pattern view will not cause an error due to rescaling of the phase lines anymore
- fixed issue with compromised Dioptas settings files, Dioptas will now start even if the settings can't be loaded
- fixed strange masking artifacts at the edges when using the polygon masking tool
- fixed undock/dock process, which was not working propoerly (only image was shown without pattern after docking the img widget
- fixed image view scaling when loading differently sized images or switching between cake and image mode
- fixed the CeO2 calibration file (there was a (9,0,0) reflection, which does not exist, instead at close position here should be a (8, 4, 0) reflection)
- added compatibility for *.spe files (from Princeton instruments).
- added capability for beamlines using epics and Image Tags to move to the position where the image was collected
- added a new error Dialog which will popup on any error and show the error message, which then can be send to
[email protected], so I can fix it
- Bugfixes:
- cif files with errors in atomic coordinates can now be loaded too
- adding AMCSD cif compatibility
- fixed an error with file paths on windows causing it to not load any cif files
- fixed some typos
- fixing bug with fit2d parameter input
- fixing bug with background image loading
- It is now possible to load *.cif files in the Phase tab in the integration module. Loading a cif file will automatically calculate the intensities of all hkl with a given minimum intensity and minimum d spacing.
- Dioptas can now load tiff tags and display them in a separate window. This is very practical if the beamline setup writes extra information as tags into the tif file such as position or exposure time etc.
- The overlay tab has a new waterfall feature which automatically creates a waterfall plot with a given offset of all loaded overlays, whereby the most recent one is closest to the current integrated pattern.
- the selected region and image shading is now synchronized between the calibration, mask and image view
- negative pressures are now allowed for phases, although unphysical, it might give some hint when searching for a matching structure. The bulk modulus here is kept constant with pressures below 0. (Since the Birch Murnaghan EOS misbehaves at these conditions).
- There is now a white cross marking the clicked position on the image in the Integration module. This marker will move to the corresponding position when switching between 'cake' and 'image' mode. This allows for tracking of individual peaks easily.
- The default filename for the "save mask", "save pattern" and "save image" file dialogs will be the current image basename with the appropriate extension.
- Added a lot more calibrants from pyFAI library. All NIST calibrants should be present with the appropriate references in the files.
- Dioptas has been completely refactored by rewriting almost all of the GUI code, which will make future releases much faster, so stay tuned
- Bugfixes:
- mar345 files are now correctly loaded
- autoprocessing of files, i.e. automatically loading newly collected files should now be much more reliable and especially the check for new files takes much less network bandwidth
- jcpds editor content is now properly updated with the values of a newly added phase, which will be the new selected one
- calculation of d-spacings for monoclinic space group jcpds is now correct, there was a sign error in the last term
- Gui reorganization in the integration view: (1) autoscale button and transparent mask button are now shown within the image view. (2) the quick action buttons save image, save pattern etc. are now shown in the pattern widget
- New Feature: automatic background subtraction under BKG tab in the integration window. can also be accessed from the bg button in the pattern widget. By pressing inspect it shows both the original pattern and background within the limits for the extraction process. Please adjust the parameters according to your data.
- File browsing step can now be modified to be different from 1 by entering an integer in the step text field below the arrows.
- The absorption lengths for the diamond and seat corrections can now be adjusted. (They should be chosen according to the energy used for the XRD experiment)
- Dioptas now saves the calibration when closing and will automatically open after restarting the program
- mask files are now saved in a compressed tif format which reduces the file size from before 16 Mb to now less than 40 kb
- Added the option to use "Oblique Incidence Angle Detector Absorption correction", which basically corrects for the angle dependent path length in the detector scintillator and tries to correct the intensities correspondingly. This is especially useful at very high energies.
- the cBN seat correction has been upgraded to include an Offset and Offset tilt parameter which corrects for misalignment of the sample in respect to the cBN seat
- both, cBN seat correction and Oblique Incidence Angle Detector Absorption correction have been moved to a new tab ("Cor") in the Integration window
- Bugfixes
- fixed a bug which was causing Dioptas to crash when auto-processing new files and the rate of new files in the folder was faster than Dioptas could process them
- fixed a bug which was causing the first calibration to fail for images with a different pixel size than 79um
- fixed a bug which was causing the pixel size not to update when loading a calibration "*.poni" file
- fixed a bug which was producing NAN intensity values in saved spectra when using masks
- defining an image as background prior to integration has been implemented. The controls can be found in the Bkg
- tab in the integration widget
- it is now possible to do an absorption correction for cBN seats based on the geometry and rotation of the cell.
- Further details of the calculation can be found in the manual.
- the pressure of each phase is now shown next to it in the pattern view and not only in the phase tab.
- the image window in the integration widget can now be undocked, which creates a separate window for the image
- view whereby the windows are still connected (the green line). This enables the use of Dioptas over 2 Monitors for having a better overview.
- Bugfixes
- It is now possible to load images with different shapes, after calibration has been done. Although you might wanna use a different calibration for different detectors/images.
- The gui has been updated to look reasonable good also on OS X 10.10 Yosemite.
- in the "X"-tab in the integration widget there are now two new options for integration available
- it is now possible to change the number of bins for integration in the GUI (under X). After each change to the
- number the pattern will be integrated again automatically, to see the effects of different bin numbers easily.
- the standard number of bin has been increased by a factor of approximately 0.9
- additionally, the images can now be supersampled, up to a factor of 5. Supersampling divides a pixel into equal
- area subpixel which leads in the end to a smoother pattern. A supersampling factor of 2 will divide each pixel into four subpixel, a factor of 3 into 9 and so on. Depending on the initial image size the integration of the supersampled image can take very long (especially the first integration where the lookup table/sparse matrix is created). To reset the supersampling just type 1 into the spinbox.
- the available pattern file formats checkboxes have been moved from the X menu to Spec to be more easily visible
- the speed of the calibration procedure has been improved
- it is now possible to leave the detector distance constant during calibration (Warning: This is the pyFAI geometry
- detector distance, not the fit2d detector distance. The Fit2D detector distance could still vary a little bit during the calibration procedure due to the different geometries of Fit2D and pyFAI)
- Bugfixes:
- MAC version - fixed a bug which caused the image to be flipped vertically
- Polarization correction - fixed a bug which either caused the polarization correction to not be applied or being
- with the wrong sign. Checked now everything again against Fit2D and should be working correctly
- Saving the pattern in the vector based .svg format is now working
- Finished the JCPDS editor (pops up when you select a phase and select edit)
- Fixed several small bugs using jcpds files (triclinic works now)
- added inverse grey scale to the available image color scales
- Bugfixes:
- Fixed the header format of xy files in windows
- .xy header now correctly shows the polarization factor
- the temperature step in the user interface for phases now correctly changes the step of the temperature spin box
- erroneous jcpds files will now give an error messagebox and will be handled correctly - no restart needed anymore
- spectra can now be saved in .xy, .chi and dat format
- they can be selected for automatic creation of pattern files when loading images
- Bugfixes:
- auto - creation of pattern now also works when the folder was inserted by typing it into the line item.
- loading a new file was always creating an index by time of all the files, which slowed down the loading of new files considerably. - this is now done only once when loading a file from a new folder
- setting the image working directory by typing it into the textfield now works correctly
- changing the working directory while having enabled autoprocess will not load a file automatically anymore
- the selection color in tables of integration view has been changed to orange, in order to overcome the visibility problem of the Checkboxes on Windows
- browsing in cake mode did reset the integrator everytime which made it very slow. Fixed this bug, browsing in cake mode should now be almost as fast as only using integration
- implemented option to use mask for calibration refinement
- Bugfixes:
- fixed a bug when using phase lines which caused the pattern plot to flow